(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

C16H23ClN2O — CID 9275606

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](C)C1
InChIInChI=1S/C16H23ClN2O/c1-11-5-4-8-19(10-11)13(3)16(20)18-15-9-14(17)7-6-12(15)2/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t11-,13-/m0/s1
InChIKeyRLVQLZXINSMGIX-AAEUAGOBSA-N
MW294.83 g/mol
LogP3.71
Rot. Bonds3

About (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (PubChem CID 9275606) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
PubChem CID9275606
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](C)C1
InChIInChI=1S/C16H23ClN2O/c1-11-5-4-8-19(10-11)13(3)16(20)18-15-9-14(17)7-6-12(15)2/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t11-,13-/m0/s1
InChIKeyRLVQLZXINSMGIX-AAEUAGOBSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
N-[[(3S)-1-[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 100855812
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
N-(5-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507499
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (CID 9275606) is (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](C)C1.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is RLVQLZXINSMGIX-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-5-4-8-19(10-11)13(3)16(20)18-15-9-14(17)7-6-12(15)2/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t11-,13-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 294.83 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9275606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).